3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid

C16H14F2O2 — CID 105372523

IUPAC3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
SMILESCc1ccc(F)cc1CC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H14F2O2/c1-10-5-6-14(18)8-12(10)9-15(16(19)20)11-3-2-4-13(17)7-11/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyZJVQUEGCHWZPTM-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.68
Rot. Bonds4

About 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid

3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid (PubChem CID 105372523) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
PubChem CID105372523
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
SMILESCc1ccc(F)cc1CC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H14F2O2/c1-10-5-6-14(18)8-12(10)9-15(16(19)20)11-3-2-4-13(17)7-11/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyZJVQUEGCHWZPTM-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid
CID 79437082
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440857
2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid
CID 105372500
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440853
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79441236
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid
CID 82136686

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid (CID 105372523) is 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid is Cc1ccc(F)cc1CC(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid?
The InChIKey is ZJVQUEGCHWZPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-10-5-6-14(18)8-12(10)9-15(16(19)20)11-3-2-4-13(17)7-11/h2-8,15H,9H2,1H3,(H,19,20).
What are the key properties of 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid?
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid has a molecular weight of 276.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 105372523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).